AB55301
1131-09-5 | Benzo[b]thiophene-3-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB55301
ChemicalName
Benzo[b]thiophene-3-acetic acid
CasNumber
1131-09-5
MolecularFormula
C10H8O2S
MolecularWeight
192.2343
MdlNumber
MFCD00051637
Smiles
OC(=O)Cc1csc2c1cccc2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB55301
ChemicalName: Benzo[b]thiophene-3-acetic acid
CasNumber: 1131-09-5
MolecularFormula: C10H8O2S
MolecularWeight: 192.2343
MdlNumber: MFCD00051637
Smiles: OC(=O)Cc1csc2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB55301
ChemicalName:
Benzo[b]thiophene-3-acetic acid
CasNumber:
1131-09-5
MolecularFormula:
C10H8O2S
MolecularWeight:
192.2343
MdlNumber:
MFCD00051637
Smiles:
OC(=O)Cc1csc2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCN(CC1)[C+](N1CCCCC1)On1nnc2c1cccc2.F[P+](F)(F)(F)(F)F
Complexity: 466
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCN(CC1)[C+](N1CCCCC1)On1nnc2c1cccc2.F[P+](F)(F)(F)(F)F
Complexity:
466
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCN(C1)C(=[O+]n1nnc2c1cccc2)N1CCCC1.F[P-](F)(F)(F)(F)F
Complexity: 441
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCN(C1)C(=[O+]n1nnc2c1cccc2)N1CCCC1.F[P-](F)(F)(F)(F)F
Complexity:
441
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__